(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide

C22H20N2O2 — CID 749217

IUPAC(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C(=O)NCc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-26-20-11-9-17(10-12-20)14-21(19-7-3-2-4-8-19)22(25)24-16-18-6-5-13-23-15-18/h2-15H,16H2,1H3,(H,24,25)/b21-14-
InChIKeyBKIMVWCAENBXQH-STZFKDTASA-N
MW344.41 g/mol
LogP3.95
Rot. Bonds6

About (Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide

(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 749217) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID749217
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C(=O)NCc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-26-20-11-9-17(10-12-20)14-21(19-7-3-2-4-8-19)22(25)24-16-18-6-5-13-23-15-18/h2-15H,16H2,1H3,(H,24,25)/b21-14-
InChIKeyBKIMVWCAENBXQH-STZFKDTASA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(difluoromethoxy)phenyl]-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 2310363
4-methoxy-N-[(E)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2131950
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
N-[(E)-1-(4-methoxyphenyl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide
CID 1345628
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide
CID 960092
2-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 17200377
(E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 28576235
N-[1-(4-bromophenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 4279184
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
CID 5038246

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 749217) is (Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide is COc1ccc(/C=C(\C(=O)NCc2cccnc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is BKIMVWCAENBXQH-STZFKDTASA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-20-11-9-17(10-12-20)14-21(19-7-3-2-4-8-19)22(25)24-16-18-6-5-13-23-15-18/h2-15H,16H2,1H3,(H,24,25)/b21-14-.
What are the key properties of (Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide?
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 344.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 749217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).